2-ethyl-N-methylthiomorpholine-4-carbothioamide

C8H16N2S2 — CID 115662486

IUPAC2-ethyl-N-methylthiomorpholine-4-carbothioamide
SMILESCCC1CN(C(=S)NC)CCS1
InChIInChI=1S/C8H16N2S2/c1-3-7-6-10(4-5-12-7)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyFUYCGRMAIXNTGL-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.32
Rot. Bonds1

About 2-ethyl-N-methylthiomorpholine-4-carbothioamide

2-ethyl-N-methylthiomorpholine-4-carbothioamide (PubChem CID 115662486) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-ethyl-N-methylthiomorpholine-4-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-methylthiomorpholine-4-carbothioamide
PubChem CID115662486
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC Name2-ethyl-N-methylthiomorpholine-4-carbothioamide
SMILESCCC1CN(C(=S)NC)CCS1
InChIInChI=1S/C8H16N2S2/c1-3-7-6-10(4-5-12-7)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyFUYCGRMAIXNTGL-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylthiomorpholine-4-carbothioamide?
The IUPAC name of 2-ethyl-N-methylthiomorpholine-4-carbothioamide (CID 115662486) is 2-ethyl-N-methylthiomorpholine-4-carbothioamide.
What is the SMILES notation for 2-ethyl-N-methylthiomorpholine-4-carbothioamide?
The canonical SMILES for 2-ethyl-N-methylthiomorpholine-4-carbothioamide is CCC1CN(C(=S)NC)CCS1.
What is the InChIKey of 2-ethyl-N-methylthiomorpholine-4-carbothioamide?
The InChIKey is FUYCGRMAIXNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-3-7-6-10(4-5-12-7)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-ethyl-N-methylthiomorpholine-4-carbothioamide?
2-ethyl-N-methylthiomorpholine-4-carbothioamide has a molecular weight of 204.36 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylthiomorpholine-4-carbothioamide is sourced from PubChem (CID 115662486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).